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5KL2
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BU of 5kl2 by Molmil
Wilms Tumor Protein (WT1) ZnF2-4 in complex with DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Hashimoto, H, Cheng, X.
登録日2016-06-23
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.692 Å)
主引用文献Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
5KL3
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BU of 5kl3 by Molmil
Wilms Tumor Protein (WT1) ZnF2-4 Q369H in complex with DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Hashimoto, H, Cheng, X.
登録日2016-06-23
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
5KL7
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BU of 5kl7 by Molmil
Wilms Tumor Protein (WT1) ZnF2-4Q369R in complex with carboxylated DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Hashimoto, H, Cheng, X.
登録日2016-06-23
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
6O3I
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BU of 6o3i by Molmil
Crystal Structure of Human IDO1 bound to navoximod (NLG-919)
分子名称: Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol
著者Harris, S.F, Oh, A.
登録日2019-02-26
公開日2019-07-17
最終更新日2019-08-07
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Clinical Candidate (1R,4r)-4-((R)-2-((S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl)cyclohexan-1-ol (Navoximod), a Potent and Selective Inhibitor of Indoleamine 2,3-Dioxygenase 1.
J.Med.Chem., 62, 2019
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
著者Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
登録日2022-09-11
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
8GU7
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BU of 8gu7 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
分子名称: Beclin 1-associated autophagy-related key regulator, Beclin-2
著者Qiu, X, Zhao, Y.
登録日2022-09-11
公開日2023-07-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
8GT9
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BU of 8gt9 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
分子名称: Beclin-2
著者Qiu, X, Zhao, Y.
登録日2022-09-07
公開日2023-07-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
5KE7
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BU of 5ke7 by Molmil
mouse Klf4 ZnF1-3 and TpG/MpA sequence DNA complex structure
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*TP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*(5CM)P*AP*CP*CP*TP*C)-3'), ...
著者Hashimoto, H, Cheng, X.
登録日2016-06-09
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Distinctive Klf4 mutants determine preference for DNA methylation status.
Nucleic Acids Res., 44, 2016
5K5I
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BU of 5k5i by Molmil
Homo sapiens CCCTC-binding factor (CTCF) ZnF5-8 and DNA complex structure in space group P65
分子名称: DNA (5'-D(*CP*CP*CP*TP*GP*CP*TP*GP*GP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*CP*AP*GP*CP*AP*GP*GP*GP*G)-3'), SULFATE ION, ...
著者Hashimoto, H, Cheng, X.
登録日2016-05-23
公開日2017-05-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
6EFJ
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BU of 6efj by Molmil
Crystal structure of NDM-1 with compound 9
分子名称: (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, Metallo-beta-lactamase type 2, ZINC ION
著者Akhtar, A, Chen, Y.
登録日2018-08-16
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
7VQ1
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BU of 7vq1 by Molmil
Structure of Apo-hsTRPM2 channel
分子名称: Transient receptor potential cation channel subfamily M member 2
著者Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W.
登録日2021-10-18
公開日2021-12-22
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021
7VQ2
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BU of 7vq2 by Molmil
Structure of Apo-hsTRPM2 channel TM domain
分子名称: Transient receptor potential cation channel subfamily M member 2
著者Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W.
登録日2021-10-18
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021
6VPX
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BU of 6vpx by Molmil
Nanodisc of full-length HIV-1 Envelope glycoprotein clone AMC011 in complex with one PGT151 Fab and three 10E8 Fabs
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rantalainen, K, Ward, A.B.W.
登録日2020-02-04
公開日2020-04-22
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献HIV-1 Envelope and MPER Antibody Structures in Lipid Assemblies.
Cell Rep, 31, 2020
5XGH
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BU of 5xgh by Molmil
Crystal structure of PI3K complex with an inhibitor
分子名称: 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Song, K, Yang, X, Zhao, Y, Jian, Z.
登録日2017-04-13
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献New Insights into PI3K Inhibitor Design using X-ray Structures of PI3K alpha Complexed with a Potent Lead Compound.
Sci Rep, 7, 2017
2AOT
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BU of 2aot by Molmil
Histamine Methyltransferase Complexed with the Antihistamine Drug Diphenhydramine
分子名称: Histamine N-methyltransferase, N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE, S-ADENOSYL-L-HOMOCYSTEINE
著者Horton, J.R, Sawada, K, Nishibori, M, Cheng, X.
登録日2005-08-14
公開日2005-09-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for inhibition of histamine N-methyltransferase by diverse drugs
J.Mol.Biol., 353, 2005
2AOW
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BU of 2aow by Molmil
Histamine Methyltransferase (Natural Variant I105) Complexed with the Acetylcholinesterase Inhibitor and Altzheimer's Disease Drug Tacrine
分子名称: Histamine N-methyltransferase, TACRINE
著者Horton, J.R, Sawada, K, Nishibori, M, Cheng, X.
登録日2005-08-14
公開日2005-09-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural basis for inhibition of histamine N-methyltransferase by diverse drugs
J.Mol.Biol., 353, 2005
4RF3
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BU of 4rf3 by Molmil
Crystal Structure of ketoreductase from Lactobacillus kefir, mutant A94F
分子名称: GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
5GQQ
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BU of 5gqq by Molmil
Structure of ALG-2/HEBP2 Complex
分子名称: CALCIUM ION, CHLORIDE ION, Heme-binding protein 2, ...
著者Liu, X, Ma, J, Zhang, H, Feng, Y.
登録日2016-08-08
公開日2016-11-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Functional Study of Apoptosis-linked Gene-2Heme-binding Protein 2 Interactions in HIV-1 Production.
J. Biol. Chem., 291, 2016
4RF5
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BU of 4rf5 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir, E145S mutant
分子名称: GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.596 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4Y07
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BU of 4y07 by Molmil
Crystal structure of the HECT domain of human WWP2
分子名称: NEDD4-like E3 ubiquitin-protein ligase WWP2
著者Gong, W, Li, J, Li, Z, Xu, Y.
登録日2015-02-05
公開日2015-11-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.507 Å)
主引用文献Structure of the HECT domain of human WWP2
Acta Crystallogr.,Sect.F, 71, 2015
4RF2
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BU of 4rf2 by Molmil
Crystal structure of NADP+ bound ketoreductase from Lactobacillus kefir
分子名称: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
6GH5
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BU of 6gh5 by Molmil
Cryo-EM structure of bacterial RNA polymerase-sigma54 holoenzyme transcription open complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Glyde, R, Ye, F.Z, Zhang, X.D.
登録日2018-05-04
公開日2018-07-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of Bacterial RNA Polymerase Complexes Reveal the Mechanism of DNA Loading and Transcription Initiation.
Mol. Cell, 70, 2018
4RF4
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BU of 4rf4 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir
分子名称: MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
6GH6
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BU of 6gh6 by Molmil
Cryo-EM structure of bacterial RNA polymerase-sigma54 holoenzyme intermediate partially loaded complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Glyde, R, Ye, F.Z, Zhang, X.D.
登録日2018-05-04
公開日2018-07-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structures of Bacterial RNA Polymerase Complexes Reveal the Mechanism of DNA Loading and Transcription Initiation.
Mol. Cell, 70, 2018
5KML
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BU of 5kml by Molmil
TrkA JM-kinase with 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
分子名称: 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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